Bicarbonate Ion → Tert-butyl 2-(4-(4-((4-chlorophenethyl)carbamoyl)phenoxy)-3-cyanophenyl)-2-fluoroacetate
Reaction equation
[C:45](=[O:46])([OH:47])[O-:48].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17]([C:32]#[N:33])[cH:18][c:19]([C:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])=[N+:30]=[N-:31])[cH:20][cH:21]3)[cH:34][cH:35]2)[cH:36][cH:37]1.[FH:38].[cH:39]1[cH:40][cH:41][n:42][cH:43][cH:44]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][CH2:7][NH:8][C:9](=[O:10])[c:11]2[cH:12][cH:13][c:14]([O:15][c:16]3[c:17]([C:32]#[N:33])[cH:18][c:19]([CH:22]([C:23](=[O:24])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[F:38])[cH:20][cH:21]3)[cH:34][cH:35]2)[cH:36][cH:37]1Participants
6
Reactant 5
Product 1
Sources & evidence
- ORD record
- ord-2bcea3d209914dee89d44b797eecf171
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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